4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[3-(4-chlorophenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[3-(4-chlorophenyl)-5-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(methylthio)pyrimidine IUPAC Name: 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[3-(4-chlorophenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]-2-(methylthio)pyrimidine Formula: C19H20ClN5S MolecularWeight: 385.9136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCNCC4

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCNCC4

InChI

InChI=1S/C19H20ClN5S/c1-26-19-22-11-8-15(23-19)16-17(12-2-4-14(20)5-3-12)24-25-18(16)13-6-9-21-10-7-13/h2-5,8,11,13,21H,6-7,9-10H2,1H3,(H,24,25)